KEGG   DRUG: AceclofenacHelp
Entry
D01545                      Drug                                   

Name
Aceclofenac (JAN/INN);
Aceclofenac (TN)
Formula
C16H13Cl2NO4
Exact mass
353.0222
Mol weight
354.1847
Structure
Mol fileKCF fileDB search
Class
Anti-inflammatory
 DG01906  Antiinflammatory drug, acetic acid derivatives
  DG01898  Antiinflammatory drug, phenylacetic acid derivatives
 DG01504  Nonsteroidal antiinflammatory drug (NSAID)
  DG01906  Antiinflammatory drug, acetic acid derivatives
   DG01898  Antiinflammatory drug, phenylacetic acid derivatives
Remark
ATC code: M01AB16 M02AA25
Efficacy
Anti-inflammatory, COX inhibitor
Target
PTGS2 (COX2) [HSA:5743] [KO:K11987]
PTGS1 (COX1) [HSA:5742] [KO:K00509]
PTGES [HSA:9536] [KO:K15729]
  Pathway
hsa00590  Arachidonic acid metabolism
Interaction
Drug interaction
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 M MUSCULO-SKELETAL SYSTEM
  M01 ANTIINFLAMMATORY AND ANTIRHEUMATIC PRODUCTS
   M01A ANTIINFLAMMATORY AND ANTIRHEUMATIC PRODUCTS, NON-STEROIDS
    M01AB Acetic acid derivatives and related substances
     M01AB16 Aceclofenac
      D01545  Aceclofenac (JAN/INN)
  M02 TOPICAL PRODUCTS FOR JOINT AND MUSCULAR PAIN
   M02A TOPICAL PRODUCTS FOR JOINT AND MUSCULAR PAIN
    M02AA Antiinflammatory preparations, non-steroids for topical use
     M02AA25 Aceclofenac
      D01545  Aceclofenac (JAN/INN)
Target-based classification of drugs [BR:br08310]
 Enzymes
  Oxidoreductases (EC1)
   Prostaglandin synthase
    PTGS1 (COX1)
     D01545  Aceclofenac (JAN/INN)
    PTGS2 (COX2)
     D01545  Aceclofenac (JAN/INN)
  Isomerases (EC5)
   Prostaglandin-E synthase
    PTGES
     D01545  Aceclofenac (JAN/INN)
BRITE hierarchy
Other DBs
CAS: 89796-99-6
PubChem: 7848608
ChEBI: 31159
ChEMBL: CHEMBL93645
LigandBox: D01545
NIKKAJI: J22.763C
LinkDB All DBs
KCF data Show

ATOM        23
            1   C8x C     4.2700   -9.5900
            2   C8x C     4.2700  -10.9900
            3   C8y C     5.4824  -11.6900
            4   C8y C     6.6949  -10.9900
            5   C8y C     6.6949   -9.5900
            6   C8x C     5.4824   -8.8900
            7   N1b N     7.9260  -11.7010
            8   C8y C     7.9257  -13.0899
            9   X   Cl    5.4824  -13.0898
            10  X   Cl    7.9260   -8.8790
            11  C8x C     6.7014  -13.7966
            12  C8x C     6.7012  -15.1966
            13  C8x C     7.9135  -15.8967
            14  C8x C     9.1379  -15.1901
            15  C8y C     9.1381  -13.7901
            16  C1b C    10.3743  -13.0762
            17  C7a C    11.5819  -13.7733
            18  O7a O    12.7631  -13.0912
            19  O6a O    11.5824  -15.1896
            20  C1b C    13.9576  -13.7809
            21  C6a C    15.1454  -13.0951
            22  O6a O    16.3365  -13.7829
            23  O6a O    15.1455  -11.6902
BOND        24
            1     1   2 2
            2     2   3 1
            3     3   4 2
            4     4   5 1
            5     5   6 2
            6     1   6 1
            7     4   7 1
            8     7   8 1
            9     3   9 1
            10    5  10 1
            11    8  11 2
            12   11  12 1
            13   12  13 2
            14   13  14 1
            15   14  15 2
            16    8  15 1
            17   15  16 1
            18   16  17 1
            19   17  18 1
            20   17  19 2
            21   18  20 1
            22   20  21 1
            23   21  22 1
            24   21  23 2

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